Information card for entry 4337045

Structure parameters

• Formula: C36 H57 Au2 N2 O11.5 P2 S2 Zn
• Calculated formula: C36 H57 Au2 N2 O11.5 P2 S2 Zn
• SMILES: [Au]([S]1[Zn]234([S]([Au]5)C([C@@H]([NH2]4)C(=O)O2)(C)C)[NH2][C@H](C1(C)C)C(=O)O3)[P](C[P]5(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.CCO.O.O.O.O.O.O.O
• Title of publication: Synthesis, Structures, and Luminescence Properties of Interconvertible AuI2ZnII and AuI3ZnII Complexes with Mixed Bis(diphenylphosphino)methane and d-Penicillaminate
• Authors of publication: Yuji Hashimoto; Nobuto Yoshinari; Daisuke Naruse; Koichi Nozaki; Takumi Konno
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 14368 - 14375
• a: 11.7463 ± 0.0006 Å
• b: 31.863 ± 0.002 Å
• c: 12.6664 ± 0.0009 Å
• α: 90°
• β: 105.994 ± 0.002°
• γ: 90°
• Cell volume: 4557.2 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No